SCHEMBL3131001

SCHEMBL3131001

COc1ccc(C(Nc2cccc(C(=O)O)c2)c2cccnn2)cc1OC1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 19/20 0.55
PDE4B Q07343 4/20 0.55
PDE4C Q08493 4/20 0.55
PDE4D Q08499 4/20 0.55
PDE5A O76074 1/20 0.44
PDE1A P54750 1/20 0.44
PDE1B Q01064 1/20 0.44
PDE1C Q14123 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3132126 0.91 PDE4A (0.54) PDE4APDE4BPDE4CPDE4D
SCHEMBL3131361 0.86 PDE4A (0.43) PDE4APDE4BPDE4CPDE4D
SCHEMBL3132049 0.83 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL3131347 0.80 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL2905266 0.77 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL1157541 0.75 PDE4D (0.69) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL2902041 0.75 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL2907952 0.75 PDE4A (0.42) PDE4APDE4BPDE4CPDE4D
SCHEMBL3121240 0.75 PDE4A (0.51) PDE4APDE4BPDE4CPDE4D
SCHEMBL3118017 0.75 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DPDE5A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010003084-A2 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2010-01-07 WO disclosed